3-[3-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]-6-propyl-3,4-dihydro-2H-pyran

C29H43FO — CID 118583726

IUPAC3-[3-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]-6-propyl-3,4-dihydro-2H-pyran
SMILESCCCC1=CCC(c2ccc(C3CCC(C4CCC(CCC)CC4)CC3)c(F)c2)CO1
InChIInChI=1S/C29H43FO/c1-3-5-21-7-9-22(10-8-21)23-11-13-24(14-12-23)28-18-16-25(19-29(28)30)26-15-17-27(6-4-2)31-20-26/h16-19,21-24,26H,3-15,20H2,1-2H3
InChIKeyHEINDIOZGHKYFO-UHFFFAOYSA-N
MW426.66 g/mol
LogP8.89
Rot. Bonds7

About 3-[3-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]-6-propyl-3,4-dihydro-2H-pyran

3-[3-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]-6-propyl-3,4-dihydro-2H-pyran (PubChem CID 118583726) has the molecular formula C29H43FO and a molecular weight of 426.66 g/mol. Its IUPAC name is 3-[3-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]-6-propyl-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name3-[3-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]-6-propyl-3,4-dihydro-2H-pyran
PubChem CID118583726
Molecular FormulaC29H43FO
Molecular Weight426.66 g/mol
Exact Mass426.33
IUPAC Name3-[3-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]-6-propyl-3,4-dihydro-2H-pyran
SMILESCCCC1=CCC(c2ccc(C3CCC(C4CCC(CCC)CC4)CC3)c(F)c2)CO1
InChIInChI=1S/C29H43FO/c1-3-5-21-7-9-22(10-8-21)23-11-13-24(14-12-23)28-18-16-25(19-29(28)30)26-15-17-27(6-4-2)31-20-26/h16-19,21-24,26H,3-15,20H2,1-2H3
InChIKeyHEINDIOZGHKYFO-UHFFFAOYSA-N
XLogP8.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.66
LogP ≤ 58.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-[3-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]-6-propyl-3,4-dihydro-2H-pyran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-1-[4-(4-methylcyclohexyl)cyclohexyl]-4-(4-propylcyclohexyl)benzene
CID 122642799
2-fluoro-1-(4-pentylcyclohexyl)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 118136052
3-[4-[4-(4-ethylcyclohexyl)-3-fluorophenyl]phenyl]-6-pentyl-3,4-dihydro-2H-pyran
CID 118583725
2-[3-fluoro-4-[4-[4-(fluoromethyl)cyclohexyl]cyclohexyl]phenyl]-5-propyl-1,3-dioxane
CID 70797487
2,4-difluoro-1-(4-propylcyclohexyl)benzene
CID 20677019
1-ethyl-2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 14693031
4-[4-[3-fluoro-4-(4-pentylcyclohexyl)phenyl]cyclohexyl]-N-methylcyclohexan-1-amine
CID 145235108
2-fluoro-1-[4-[4-(2-fluoroethyl)cyclohexyl]cyclohexyl]-4-propylbenzene
CID 18344256
2-fluoro-4-(4-methoxycyclohexyl)-1-[4-(4-pentylcyclohexyl)cyclohexyl]benzene
CID 139457155
6-propyl-3-(5-propyloxan-2-yl)-3,4-dihydro-2H-pyran
CID 118583674
3-ethyl-6-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]-3,4-dihydro-2H-pyran
CID 118583717
3-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]-6-propyl-3,4-dihydro-2H-pyran
CID 118583572

Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]-6-propyl-3,4-dihydro-2H-pyran?
The IUPAC name of 3-[3-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]-6-propyl-3,4-dihydro-2H-pyran (CID 118583726) is 3-[3-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]-6-propyl-3,4-dihydro-2H-pyran.
What is the SMILES notation for 3-[3-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]-6-propyl-3,4-dihydro-2H-pyran?
The canonical SMILES for 3-[3-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]-6-propyl-3,4-dihydro-2H-pyran is CCCC1=CCC(c2ccc(C3CCC(C4CCC(CCC)CC4)CC3)c(F)c2)CO1.
What is the InChIKey of 3-[3-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]-6-propyl-3,4-dihydro-2H-pyran?
The InChIKey is HEINDIOZGHKYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H43FO/c1-3-5-21-7-9-22(10-8-21)23-11-13-24(14-12-23)28-18-16-25(19-29(28)30)26-15-17-27(6-4-2)31-20-26/h16-19,21-24,26H,3-15,20H2,1-2H3.
What are the key properties of 3-[3-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]-6-propyl-3,4-dihydro-2H-pyran?
3-[3-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]-6-propyl-3,4-dihydro-2H-pyran has a molecular weight of 426.66 g/mol, XLogP of 8.89, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]-6-propyl-3,4-dihydro-2H-pyran is sourced from PubChem (CID 118583726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).